1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

C18H18N2O4S — CID 122264568

IUPAC1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccc(-c3cccs3)o2)c1OC
InChIInChI=1S/C18H18N2O4S/c1-22-15-6-3-5-13(17(15)23-2)20-18(21)19-11-12-8-9-14(24-12)16-7-4-10-25-16/h3-10H,11H2,1-2H3,(H2,19,20,21)
InChIKeyUGIVLMSYKNBKDS-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.35
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (PubChem CID 122264568) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
PubChem CID122264568
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2ccc(-c3cccs3)o2)c1OC
InChIInChI=1S/C18H18N2O4S/c1-22-15-6-3-5-13(17(15)23-2)20-18(21)19-11-12-8-9-14(24-12)16-7-4-10-25-16/h3-10H,11H2,1-2H3,(H2,19,20,21)
InChIKeyUGIVLMSYKNBKDS-UHFFFAOYSA-N
XLogP4.35
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide
CID 119101802
1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (CID 122264568) is 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is COc1cccc(NC(=O)NCc2ccc(-c3cccs3)o2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The InChIKey is UGIVLMSYKNBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-22-15-6-3-5-13(17(15)23-2)20-18(21)19-11-12-8-9-14(24-12)16-7-4-10-25-16/h3-10H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea has a molecular weight of 358.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is sourced from PubChem (CID 122264568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).